Information card for entry 1556565

Structure parameters

• Formula: C122 H87 F22 Ir4 N20 O9 P
• Calculated formula: C122 H81 F22 Ir4 N20 O9 P
• Title of publication: Single-molecule MicroRNA Electrochemiluminescence Detection Using Cyclometalated Dinuclear Ir(III) Complex with Synergistic Effect.
• Authors of publication: Gao, Tai-Bao; Zhang, Jing-JIng; Wen, Jing; Yang, Xue-Xiao; Ma, Haibo; Cao, Deng-Ke; Jiang, Dechen
• Journal of publication: Analytical chemistry
• Year of publication: 2019
• a: 12.768 ± 0.004 Å
• b: 15.562 ± 0.005 Å
• c: 16.092 ± 0.004 Å
• α: 66.535 ± 0.006°
• β: 81.889 ± 0.005°
• γ: 74.185 ± 0.006°
• Cell volume: 2820 ± 1.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1036
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.1272
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No